2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile

C19H12Cl3N3 — CID 3330133

IUPAC2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl3N3/c1-10-17(11-2-4-12(20)5-3-11)15(9-23)19(24)25-18(10)14-7-6-13(21)8-16(14)22/h2-8H,1H3,(H2,24,25)
InChIKeyPYWXYLVJQOMVEF-UHFFFAOYSA-N
MW388.69 g/mol
LogP6.14
Rot. Bonds2

About 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile

2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 3330133) has the molecular formula C19H12Cl3N3 and a molecular weight of 388.69 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
PubChem CID3330133
Molecular FormulaC19H12Cl3N3
Molecular Weight388.69 g/mol
Exact Mass387.01
IUPAC Name2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl3N3/c1-10-17(11-2-4-12(20)5-3-11)15(9-23)19(24)25-18(10)14-7-6-13(21)8-16(14)22/h2-8H,1H3,(H2,24,25)
InChIKeyPYWXYLVJQOMVEF-UHFFFAOYSA-N
XLogP6.14
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3333698
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3337530
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3337532
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 3339409
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3339406
2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 3339403
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2-amino-6-(4-chlorophenyl)-4-(2,5-difluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317750
2-amino-6-(4-chlorophenyl)-5-methyl-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3313312
2-amino-6-(3-chlorophenyl)-4-(2,6-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3328152

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile (CID 3330133) is 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile is Cc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is PYWXYLVJQOMVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3/c1-10-17(11-2-4-12(20)5-3-11)15(9-23)19(24)25-18(10)14-7-6-13(21)8-16(14)22/h2-8H,1H3,(H2,24,25).
What are the key properties of 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile?
2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 388.69 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3330133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).